(3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(1S)-1,5-dimethylhexyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(2S)-6-methylheptan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[(1S)-1,5-dimethylhexyl]nipecotamide Formula: C19H29ClN6O MolecularWeight: 392.92616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)[C@H]1CCCN(C1)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C19H29ClN6O/c1-12(2)6-4-7-13(3)23-18(27)14-8-5-9-26(10-14)17-15-16(22-11-21-15)24-19(20)25-17/h11-14H,4-10H2,1-3H3,(H,23,27)(H,21,22,24,25)/t13-,14-/m0/s1